Works matching IS 0920654X AND DT 2020 AND VI 34 AND IP 9

Results: 7

Plausible compounds drawn from plants as curative agents for neurodegeneration: An in-silico approach.

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 9, p. 1003, doi. 10.1007/s10822-020-00322-0

By:

Thiruchittampalam, Shalini;
Weerasinghe, Samantha

Publication type:

Article

Predictive potential of eigenvalue-based topological molecular descriptors.

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 9, p. 975, doi. 10.1007/s10822-020-00320-2

By:

Redžepović, Izudin;
Furtula, Boris

Publication type:

Article

Simplified activity cliff network representations with high interpretability and immediate access to SAR information.

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 9, p. 943, doi. 10.1007/s10822-020-00319-9

By:

Hu, Huabin;
Bajorath, Jürgen

Publication type:

Article

Computational exploration and experimental validation to identify a dual inhibitor of cholinesterase and amyloid-beta for the treatment of Alzheimer's disease.

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 9, p. 983, doi. 10.1007/s10822-020-00318-w

By:

Tripathi, Manish Kumar;
Sharma, Piyoosh;
Tripathi, Avanish;
Tripathi, Prabhash Nath;
Srivastava, Pavan;
Seth, Ankit;
Shrivastava, Sushant Kumar

Publication type:

Article

Revisiting allostery in CREB-binding protein (CBP) using residue-based interaction energy.

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 9, p. 965, doi. 10.1007/s10822-020-00316-y

By:

Yazar, Metin;
Ozbek, Pemra

Publication type:

Article

Advances in exploring activity cliffs.

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 9, p. 929, doi. 10.1007/s10822-020-00315-z

By:

Stumpfe, Dagmar;
Hu, Huabin;
Bajorath, Jürgen

Publication type:

Article

Side chain virtual screening of matched molecular pairs: a PDB-wide and ChEMBL-wide analysis.

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 9, p. 953, doi. 10.1007/s10822-020-00313-1

By:

Baumgartner, Matthew P.;
Evans, David A.

Publication type:

Article